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BDBM84627 BIM 23067

SMILES: CC[C@H](NC(=O)[C@H](N)Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(N)=O

InChI Key: InChIKey=XLLZAHLNQUVXQX-KVXBSRAJSA-N

Data: 10 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 84627   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM84627
PNG
(BIM 23067)
Show SMILES CC[C@H](NC(=O)[C@H](N)Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C56H72ClN11O9/c1-5-42(63-51(72)41(59)27-35-18-22-38(57)23-19-35)52(73)66-46(29-36-20-24-39(69)25-21-36)54(75)67-47(30-37-31-61-43-16-10-9-15-40(37)43)55(76)64-44(17-11-12-26-58)53(74)68-48(32(2)3)56(77)62-33(4)50(71)65-45(49(60)70)28-34-13-7-6-8-14-34/h6-10,13-16,18-25,31-33,41-42,44-48,61,69H,5,11-12,17,26-30,58-59H2,1-4H3,(H2,60,70)(H,62,77)(H,63,72)(H,64,76)(H,65,71)(H,66,73)(H,67,75)(H,68,74)/t33-,41+,42-,44-,45+,46-,47+,48-/m0/s1
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14.6n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Endocrinology 135: 2814-7 (1994)


Article DOI: 10.1210/endo.135.6.7988476
BindingDB Entry DOI: 10.7270/Q2959G27
More data for this
Ligand-Target Pair
SSTR4


(RAT)
BDBM84627
PNG
(BIM 23067)
Show SMILES CC[C@H](NC(=O)[C@H](N)Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C56H72ClN11O9/c1-5-42(63-51(72)41(59)27-35-18-22-38(57)23-19-35)52(73)66-46(29-36-20-24-39(69)25-21-36)54(75)67-47(30-37-31-61-43-16-10-9-15-40(37)43)55(76)64-44(17-11-12-26-58)53(74)68-48(32(2)3)56(77)62-33(4)50(71)65-45(49(60)70)28-34-13-7-6-8-14-34/h6-10,13-16,18-25,31-33,41-42,44-48,61,69H,5,11-12,17,26-30,58-59H2,1-4H3,(H2,60,70)(H,62,77)(H,63,72)(H,64,76)(H,65,71)(H,66,73)(H,67,75)(H,68,74)/t33-,41+,42-,44-,45+,46-,47+,48-/m0/s1
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15n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by PDSP Ki Database




Mol Pharmacol 44: 385-92 (1993)


BindingDB Entry DOI: 10.7270/Q2X065KZ
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM84627
PNG
(BIM 23067)
Show SMILES CC[C@H](NC(=O)[C@H](N)Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C56H72ClN11O9/c1-5-42(63-51(72)41(59)27-35-18-22-38(57)23-19-35)52(73)66-46(29-36-20-24-39(69)25-21-36)54(75)67-47(30-37-31-61-43-16-10-9-15-40(37)43)55(76)64-44(17-11-12-26-58)53(74)68-48(32(2)3)56(77)62-33(4)50(71)65-45(49(60)70)28-34-13-7-6-8-14-34/h6-10,13-16,18-25,31-33,41-42,44-48,61,69H,5,11-12,17,26-30,58-59H2,1-4H3,(H2,60,70)(H,62,77)(H,63,72)(H,64,76)(H,65,71)(H,66,73)(H,67,75)(H,68,74)/t33-,41+,42-,44-,45+,46-,47+,48-/m0/s1
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44.4n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Endocrinology 135: 2814-7 (1994)


Article DOI: 10.1210/endo.135.6.7988476
BindingDB Entry DOI: 10.7270/Q2959G27
More data for this
Ligand-Target Pair
SSTR3


(MOUSE)
BDBM84627
PNG
(BIM 23067)
Show SMILES CC[C@H](NC(=O)[C@H](N)Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C56H72ClN11O9/c1-5-42(63-51(72)41(59)27-35-18-22-38(57)23-19-35)52(73)66-46(29-36-20-24-39(69)25-21-36)54(75)67-47(30-37-31-61-43-16-10-9-15-40(37)43)55(76)64-44(17-11-12-26-58)53(74)68-48(32(2)3)56(77)62-33(4)50(71)65-45(49(60)70)28-34-13-7-6-8-14-34/h6-10,13-16,18-25,31-33,41-42,44-48,61,69H,5,11-12,17,26-30,58-59H2,1-4H3,(H2,60,70)(H,62,77)(H,63,72)(H,64,76)(H,65,71)(H,66,73)(H,67,75)(H,68,74)/t33-,41+,42-,44-,45+,46-,47+,48-/m0/s1
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123n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by PDSP Ki Database




Mol Pharmacol 43: 838-44 (1993)


BindingDB Entry DOI: 10.7270/Q21N7ZN7
More data for this
Ligand-Target Pair
SSTR2


(MOUSE)
BDBM84627
PNG
(BIM 23067)
Show SMILES CC[C@H](NC(=O)[C@H](N)Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C56H72ClN11O9/c1-5-42(63-51(72)41(59)27-35-18-22-38(57)23-19-35)52(73)66-46(29-36-20-24-39(69)25-21-36)54(75)67-47(30-37-31-61-43-16-10-9-15-40(37)43)55(76)64-44(17-11-12-26-58)53(74)68-48(32(2)3)56(77)62-33(4)50(71)65-45(49(60)70)28-34-13-7-6-8-14-34/h6-10,13-16,18-25,31-33,41-42,44-48,61,69H,5,11-12,17,26-30,58-59H2,1-4H3,(H2,60,70)(H,62,77)(H,63,72)(H,64,76)(H,65,71)(H,66,73)(H,67,75)(H,68,74)/t33-,41+,42-,44-,45+,46-,47+,48-/m0/s1
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135n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by PDSP Ki Database




Mol Pharmacol 43: 838-44 (1993)


BindingDB Entry DOI: 10.7270/Q21N7ZN7
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM84627
PNG
(BIM 23067)
Show SMILES CC[C@H](NC(=O)[C@H](N)Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C56H72ClN11O9/c1-5-42(63-51(72)41(59)27-35-18-22-38(57)23-19-35)52(73)66-46(29-36-20-24-39(69)25-21-36)54(75)67-47(30-37-31-61-43-16-10-9-15-40(37)43)55(76)64-44(17-11-12-26-58)53(74)68-48(32(2)3)56(77)62-33(4)50(71)65-45(49(60)70)28-34-13-7-6-8-14-34/h6-10,13-16,18-25,31-33,41-42,44-48,61,69H,5,11-12,17,26-30,58-59H2,1-4H3,(H2,60,70)(H,62,77)(H,63,72)(H,64,76)(H,65,71)(H,66,73)(H,67,75)(H,68,74)/t33-,41+,42-,44-,45+,46-,47+,48-/m0/s1
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1.00E+3n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by PDSP Ki Database




Mol Pharmacol 43: 838-44 (1993)


BindingDB Entry DOI: 10.7270/Q21N7ZN7
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM84627
PNG
(BIM 23067)
Show SMILES CC[C@H](NC(=O)[C@H](N)Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C56H72ClN11O9/c1-5-42(63-51(72)41(59)27-35-18-22-38(57)23-19-35)52(73)66-46(29-36-20-24-39(69)25-21-36)54(75)67-47(30-37-31-61-43-16-10-9-15-40(37)43)55(76)64-44(17-11-12-26-58)53(74)68-48(32(2)3)56(77)62-33(4)50(71)65-45(49(60)70)28-34-13-7-6-8-14-34/h6-10,13-16,18-25,31-33,41-42,44-48,61,69H,5,11-12,17,26-30,58-59H2,1-4H3,(H2,60,70)(H,62,77)(H,63,72)(H,64,76)(H,65,71)(H,66,73)(H,67,75)(H,68,74)/t33-,41+,42-,44-,45+,46-,47+,48-/m0/s1
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1.00E+3n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by PDSP Ki Database




Mol Pharmacol 44: 385-92 (1993)


BindingDB Entry DOI: 10.7270/Q2X065KZ
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM84627
PNG
(BIM 23067)
Show SMILES CC[C@H](NC(=O)[C@H](N)Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C56H72ClN11O9/c1-5-42(63-51(72)41(59)27-35-18-22-38(57)23-19-35)52(73)66-46(29-36-20-24-39(69)25-21-36)54(75)67-47(30-37-31-61-43-16-10-9-15-40(37)43)55(76)64-44(17-11-12-26-58)53(74)68-48(32(2)3)56(77)62-33(4)50(71)65-45(49(60)70)28-34-13-7-6-8-14-34/h6-10,13-16,18-25,31-33,41-42,44-48,61,69H,5,11-12,17,26-30,58-59H2,1-4H3,(H2,60,70)(H,62,77)(H,63,72)(H,64,76)(H,65,71)(H,66,73)(H,67,75)(H,68,74)/t33-,41+,42-,44-,45+,46-,47+,48-/m0/s1
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1.00E+3n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Endocrinology 135: 2814-7 (1994)


Article DOI: 10.1210/endo.135.6.7988476
BindingDB Entry DOI: 10.7270/Q2959G27
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM84627
PNG
(BIM 23067)
Show SMILES CC[C@H](NC(=O)[C@H](N)Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C56H72ClN11O9/c1-5-42(63-51(72)41(59)27-35-18-22-38(57)23-19-35)52(73)66-46(29-36-20-24-39(69)25-21-36)54(75)67-47(30-37-31-61-43-16-10-9-15-40(37)43)55(76)64-44(17-11-12-26-58)53(74)68-48(32(2)3)56(77)62-33(4)50(71)65-45(49(60)70)28-34-13-7-6-8-14-34/h6-10,13-16,18-25,31-33,41-42,44-48,61,69H,5,11-12,17,26-30,58-59H2,1-4H3,(H2,60,70)(H,62,77)(H,63,72)(H,64,76)(H,65,71)(H,66,73)(H,67,75)(H,68,74)/t33-,41+,42-,44-,45+,46-,47+,48-/m0/s1
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1.00E+3n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Endocrinology 135: 2814-7 (1994)


Article DOI: 10.1210/endo.135.6.7988476
BindingDB Entry DOI: 10.7270/Q2959G27
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM84627
PNG
(BIM 23067)
Show SMILES CC[C@H](NC(=O)[C@H](N)Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C56H72ClN11O9/c1-5-42(63-51(72)41(59)27-35-18-22-38(57)23-19-35)52(73)66-46(29-36-20-24-39(69)25-21-36)54(75)67-47(30-37-31-61-43-16-10-9-15-40(37)43)55(76)64-44(17-11-12-26-58)53(74)68-48(32(2)3)56(77)62-33(4)50(71)65-45(49(60)70)28-34-13-7-6-8-14-34/h6-10,13-16,18-25,31-33,41-42,44-48,61,69H,5,11-12,17,26-30,58-59H2,1-4H3,(H2,60,70)(H,62,77)(H,63,72)(H,64,76)(H,65,71)(H,66,73)(H,67,75)(H,68,74)/t33-,41+,42-,44-,45+,46-,47+,48-/m0/s1
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1.00E+3n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Endocrinology 135: 2814-7 (1994)


Article DOI: 10.1210/endo.135.6.7988476
BindingDB Entry DOI: 10.7270/Q2959G27
More data for this
Ligand-Target Pair